4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=47.9865717784203 stress="-7.554379774017095 -2.689462116940374 -0.6350071187251669 -2.689462116940374 -8.182822970222153 2.107073539481056 -0.6350071187251669 2.107073539481056 -6.455980903688595" pbc="T T F" W -0.13449789 -0.21197381 0.22277084 64.50078188 88.08085489 -67.95582950 W 1.68584377 1.68362810 0.19581920 -81.90817755 -46.27351060 -61.94678682 W 1.64685009 0.42259636 1.67626233 -38.85955848 -27.53690483 42.11099033 W -0.14597521 1.70996341 1.49207130 56.26695416 -14.27043946 87.79162599